Information card for entry 7107836

Structure parameters

• Formula: C33 H21 N4 O8 Zn
• Calculated formula: C33 H21 N4 O8 Zn
• Title of publication: Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission
• Authors of publication: Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5989
• a: 16.5028 ± 0.0004 Å
• b: 16.5028 ± 0.0004 Å
• c: 25.4515 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6002.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No